N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide

C9H18N2OS — CID 112698005

IUPACN-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide
SMILESCSCCN(C)C(=O)C1CCCN1
InChIInChI=1S/C9H18N2OS/c1-11(6-7-13-2)9(12)8-4-3-5-10-8/h8,10H,3-7H2,1-2H3
InChIKeySQRXDIHTMIXOSL-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.56
Rot. Bonds4

About N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide

N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide (PubChem CID 112698005) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide
PubChem CID112698005
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide
SMILESCSCCN(C)C(=O)C1CCCN1
InChIInChI=1S/C9H18N2OS/c1-11(6-7-13-2)9(12)8-4-3-5-10-8/h8,10H,3-7H2,1-2H3
InChIKeySQRXDIHTMIXOSL-UHFFFAOYSA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 89362128
(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
CID 54558702
N,4-dimethyl-N-(2-methylsulfanylethyl)piperidine-2-carboxamide
CID 114424449
(2R)-N-methyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 103885144
(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806
(2S)-N-(2-methoxyethyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 68805915
(2R)-N-(3-methoxypropyl)-N-methylpyrrolidine-2-carboxamide
CID 94912304
N-methyl-N-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxamide
CID 80710136
N-[2-(diethylamino)ethyl]-N-methylpiperidine-2-carboxamide
CID 119054103
(2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
CID 103833218
N,N-dimethylpyrrolidine-2-carboxamide
CID 14282308
(2R)-N-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]pyrrolidine-2-carboxamide
CID 77094777

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide (CID 112698005) is N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide is CSCCN(C)C(=O)C1CCCN1.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide?
The InChIKey is SQRXDIHTMIXOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-11(6-7-13-2)9(12)8-4-3-5-10-8/h8,10H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide?
N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide has a molecular weight of 202.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 112698005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).